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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025503

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2E,4Z,7Z)-deca-2,4,7-trienoate

Formula: C22H34O12  |  Mol. Weight: 490.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (2E,4Z,7Z)-deca-2,4,7-trienoate

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Overview

Molecular Formula C22H34O12
Molecular Weight 490.50 g/mol
Canonical SMILES CCC=CCC=CC=CC(=O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy